2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione

C11H20N2S — CID 176601985

IUPAC2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
SMILESCC(C)N(CC1NCCC1=S)C1CC1
InChIInChI=1S/C11H20N2S/c1-8(2)13(9-3-4-9)7-10-11(14)5-6-12-10/h8-10,12H,3-7H2,1-2H3
InChIKeyVESIOAVRHQJJOW-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.59
Rot. Bonds4

About 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione

2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione (PubChem CID 176601985) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione.

Molecular Properties

Compound Name2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
PubChem CID176601985
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
SMILESCC(C)N(CC1NCCC1=S)C1CC1
InChIInChI=1S/C11H20N2S/c1-8(2)13(9-3-4-9)7-10-11(14)5-6-12-10/h8-10,12H,3-7H2,1-2H3
InChIKeyVESIOAVRHQJJOW-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601035
2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione
CID 168883286
2-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601014
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
CID 176601714
2-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601955
N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
CID 176601289
2-[2-[dimethylamino(methyl)amino]ethyl]pyrrolidine-3-thione
CID 168883475
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylcyclopropanamine
CID 176601349
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
N'-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 10419294

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
The IUPAC name of 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione (CID 176601985) is 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione.
What is the SMILES notation for 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
The canonical SMILES for 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione is CC(C)N(CC1NCCC1=S)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
The InChIKey is VESIOAVRHQJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)13(9-3-4-9)7-10-11(14)5-6-12-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione has a molecular weight of 212.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione is sourced from PubChem (CID 176601985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).